CID 59278605

6-(2-hydroxyethoxy)nicotinaldehyde

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1=CC(=NC=C1C=O)OCCO
InChI
InChI=1S/C8H9NO3/c10-3-4-12-8-2-1-7(6-11)5-9-8/h1-2,5-6,10H,3-4H2
InChIKey
JKVDEQIUVMTXNC-UHFFFAOYSA-N
Compound name
6-(2-hydroxyethoxy)pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

167.05824 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 131.9
[M+Na]+ 190.04746 140.4
[M-H]- 166.05096 133.1
[M+NH4]+ 185.09206 150.5
[M+K]+ 206.02140 138.7
[M+H-H2O]+ 150.05550 125.6
[M+HCOO]- 212.05644 154.9
[M+CH3COO]- 226.07209 174.6
[M+Na-2H]- 188.03291 139.6
[M]+ 167.05769 134.1
[M]- 167.05879 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe